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Fruquintinib

CAS No.:
1194506-26-7
Catalog Number:
AG003ATK
Molecular Formula:
C21H19N3O5
Molecular Weight:
393.3927
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$133
- +
10mg
99%
1 week
United States
$182
- +
50mg
99%
1 week
United States
$307
- +
100mg
99%
1 week
United States
$501
- +
Product Description
Catalog Number:
AG003ATK
Chemical Name:
Fruquintinib
CAS Number:
1194506-26-7
Molecular Formula:
C21H19N3O5
Molecular Weight:
393.3927
MDL Number:
MFCD28502149
IUPAC Name:
6-(6,7-dimethoxyquinazolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
InChI:
InChI=1S/C21H19N3O5/c1-11-19(20(25)22-2)13-6-5-12(7-16(13)28-11)29-21-14-8-17(26-3)18(27-4)9-15(14)23-10-24-21/h5-10H,1-4H3,(H,22,25)
InChI Key:
BALLNEJQLSTPIO-UHFFFAOYSA-N
SMILES:
CNC(=O)c1c(C)oc2c1ccc(c2)Oc1ncnc2c1cc(OC)c(c2)OC
UNII:
49DXG3M5ZW
Properties
Complexity:
579  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.132g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
393.399g/mol
Monoisotopic Mass:
393.132g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
95.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
Discovery of fruquintinib, a potent and highly selective small molecule inhibitor of VEGFR 1, 2, 3 tyrosine kinases for cancer therapy. Cancer biology & therapy 20141201
Radiocesium in native residents of Anaktuvuk Pass, Alaska, 1970-1974. Health physics 19760201
Properties